SCHEMBL4686908

SCHEMBL4686908

NCCNc1nc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.55
RAB9A P51151 10/20 0.55
SMN1; SMN2 Q16637 6/20 0.53
PKM P14618 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
DDAH1 O94760 1/20 0.49
ADRA2C P18825 1/20 0.49
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
ELANE P08246 2/20 0.44
PCSK9 Q8NBP7 2/20 0.44
TP53 P04637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5834702 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL1990188 0.83 KDM4E (0.53) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL18013087 0.83 ELANE (0.63) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL5021495 0.80 ELANE (0.67) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL30583378 0.80 ELANE (0.67) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL30583373 0.80 POLB (0.51) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL18013093 0.80 ELANE (0.65) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL25056911 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL5139452 0.79 ELANE (0.64) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL24590190 0.79 PCSK9 (0.50) NPC1RAB9ASMN1; SMN2PKMNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468367-B2 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-23 US claimed
EP-1456203-B1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2008-08-20 EP claimed
US-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2005-07-21 US claimed
US-7468367-B2 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-23 US disclosed
EP-1456203-B1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2008-08-20 EP disclosed
US-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2005-07-21 US disclosed
EP-1456203-A1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003051872-A1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists HCRTR2, HCRTR1, GRPR NPC1 1803/4885RAB9A 3522/4885SMN1; SMN2 2907/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.